SCHEMBL25954056

SCHEMBL25954056

O=c1cc[nH]c2cc(-c3nccnc3Nc3ccc(C(F)(F)F)cc3)ncc12

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.46
▸ EPHX2 P34913 5/20 0.40
▸ TTBK1 Q5TCY1 2/20 0.40
▸ EGFR P00533 1/20 0.39
▸ TRPV1 Q8NER1 5/20 0.38
▸ TRPA1 O75762 2/20 0.37
▸ KCNQ3 O43525 1/20 0.37
▸ KCNQ2 O43526 1/20 0.37
▸ KCNQ1 P51787 1/20 0.37
▸ SCN5A Q14524 1/20 0.37
▸ TGFBR1 P36897 1/20 0.37
▸ TTBK2 Q6IQ55 1/20 0.36
▸ CDK1 P06493 1/20 0.36
▸ FLT3 P36888 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30544062 1.00 HSD17B10 (0.46) HSD17B10EPHX2TTBK1EGFRTRPV1
SCHEMBL25428669 0.80 HSD17B10 (0.47) HSD17B10EPHX2TTBK1TGFBR1
SCHEMBL25430635 0.74 HSD17B10 (0.51) HSD17B10EPHX2TRPV1
SCHEMBL25432084 0.69 HSD17B10 (0.46) HSD17B10
SCHEMBL22542860 0.68 EPHX2 (0.54) EPHX2EGFR
SCHEMBL25377441 0.67 EPHX2 (0.47) EPHX2TRPV1
SCHEMBL30482543 0.67 EPHX2 (0.47) EPHX2TRPV1
SCHEMBL30482575 0.66 KCNQ3 (0.47) EPHX2TRPV1TRPA1KCNQ3KCNQ2
SCHEMBL25378382 0.66 KCNQ3 (0.47) EPHX2TRPV1TRPA1KCNQ3KCNQ2
SCHEMBL9400251 0.66 HSD17B10 (1.00) HSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023146511-A1 COMPOUNDS AND METHODS OF USE THEREOF VIVACE THERAPEUTICS, INC. (US) 2023-08-03 — — WO disclosed
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